Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9714780

N#CCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAOB P27338 3/20 0.33
APP P05067 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9714606 0.92 SNCA (0.49) SNCAMEN1KMT2AHIF1AALDH1A1
Hydrochloric Acid SCHEMBL9714784 0.85 MEN1 (0.62) SNCAMEN1KMT2AHIF1APDE4A
Hydrochloric Acid SCHEMBL9714608 0.82 SNCA (0.53) SNCAMEN1KMT2AHIF1AALDH1A1
Hydrochloric Acid SCHEMBL2446696 0.81 SNCA (0.69) SNCAHIF1AALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL9714497 0.80 SNCA (0.44) SNCA
Hydrochloric Acid SCHEMBL1575597 0.79 SNCA (0.53) SNCAHIF1AMAOBL3MBTL1TSHR
Hydrochloric Acid SCHEMBL9714623 0.79 CHRNA7 (0.45) SNCAL3MBTL1
Hydrochloric Acid SCHEMBL9714833 0.78 SNCA (0.45) SNCAHIF1AMAOBTSHR
Bromide SCHEMBL39844 0.77 SNCA (0.73) SNCAHIF1AALDH1A1CYP3A4APP
Iodide SCHEMBL9321342 0.77 SNCA (0.69) SNCAHIF1AALDH1A1CYP3A4APP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed